SCHEMBL4060865

SCHEMBL4060865

C=CCCCC=CC(CCCCCCCCC)C(C=CCCCCC)CCCCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 2/20 0.45
PTGS1 P23219 1/20 0.44
PPARG P37231 1/20 0.44
OPRK1 P41145 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
GMNN O75496 2/20 0.40
GLA P06280 2/20 0.40
POLB P06746 2/20 0.40
THRB P10828 2/20 0.40
CETP P11597 2/20 0.40
MAPK1 P28482 2/20 0.40
CXCR5 P32302 2/20 0.40
CCR6 P51684 2/20 0.40
BLM P54132 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4066589 0.98 TSHR (0.59) TSHRMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL4060862 0.84 MEN1 (0.47) TSHRMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL4066586 0.84 MEN1 (0.47) TSHRMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL11806454 0.84 TSHR (0.59) TSHRMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL5138550 0.82 TSHR (0.57) TSHRMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL25178920 0.80 TSHR (0.80) TSHRALDH1A1MAPTLMNAGMNN
SCHEMBL9066545 0.80 TSHR (0.80) TSHRALDH1A1MAPTLMNAGMNN
SCHEMBL25181828 0.80 TSHR (0.80) TSHRALDH1A1MAPTLMNAGMNN
SCHEMBL20543162 0.80 TSHR (0.80) TSHRALDH1A1MAPTLMNAGMNN
SCHEMBL25181781 0.80 TSHR (0.80) TSHRALDH1A1MAPTLMNAGMNN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230099694-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-03-30 US disclosed
US-20210052575-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-25 US disclosed
US-20200061056-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-02-27 US disclosed
US-20190167672-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-06-06 US disclosed
US-20180318294-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-11-08 US disclosed
US-20180092907-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-04-05 US disclosed
US-20170071933-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-03-16 US disclosed
EP-2753617-B9 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMA CO LTD (JP) 2017-01-25 EP disclosed
US-9539252-B2 Piperazine-substituted benzothiophene derivatives as antipsychotic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-01-10 US disclosed
US-20160143905-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-05-26 US disclosed
EP-2753617-B1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMA CO LTD (JP) 2016-04-13 EP disclosed
US-9260420-B2 Piperazine-substituted benzothiophene derivatives as antipsychotic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-02-16 US disclosed
US-20150045356-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-02-12 US disclosed
EP-1166766-B1 EXTERNAL PREPARATION COMPOSITIONS KAO CORP (JP) 2009-10-21 EP disclosed
US-7351716-B2 Dermatological preparations KAO CORPORATION (JP) 2008-04-01 US disclosed
US-20040115162-A1 Dermatological preparations KAO CORPORATION (JP) 2004-06-17 US disclosed
US-6685953-B1 WATER RETENTION CAPACITY; MOISTURIZER; ALKOXYALKYAMIDES OF ALKYLENEDICARBOXYLIC ACIDS KAO CORPORATION (JP) 2004-02-03 US disclosed
EP-1166766-A1 EXTERNAL PREPARATION COMPOSITIONS Kao Corporation (JP) 2002-01-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230099694-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 TSHR 1644/4885MEN1 4379/4885KMT2A 320/4885
US-20170071933-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 TSHR 1644/4885MEN1 4379/4885KMT2A 320/4885
US-20160143905-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 TSHR 1644/4885MEN1 4379/4885KMT2A 320/4885
US-20180318294-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 TSHR 1644/4885MEN1 4379/4885KMT2A 320/4885
US-20210052575-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, SULT2A1, CYP4Z1 TSHR 1868/4885MEN1 4440/4885KMT2A 391/4885
US-20200061056-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 TSHR 1644/4885MEN1 4379/4885KMT2A 320/4885
US-20180092907-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 TSHR 1644/4885MEN1 4379/4885KMT2A 320/4885
US-20190167672-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 TSHR 1644/4885MEN1 4379/4885KMT2A 320/4885
US-20150045356-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 TSHR 1644/4885MEN1 4379/4885KMT2A 320/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.