SCHEMBL995861

SCHEMBL995861

C=CCCCCC(C)=CCCC=C(C)CCCCCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
ALDH1A1 P00352 2/20 0.48
MAPT P10636 3/20 0.44
ABCC4 O15439 1/20 0.44
LMNA P02545 2/20 0.43
SQLE Q14534 1/20 0.43
LSS P48449 2/20 0.41
FAAH O00519 2/20 0.41
TERT O14746 3/20 0.40
BLM P54132 2/20 0.40
HSD17B10 Q99714 2/20 0.40
FABP4 P15090 2/20 0.40
PTPN1 P18031 2/20 0.40
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 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
SCHEMBL29284415 0.96 TSHR (0.61) TSHRALDH1A1MAPTABCC4LMNA
SCHEMBL8385489 0.92 TSHR (0.56) TSHRALDH1A1MAPTABCC4LMNA
SCHEMBL8385488 0.92 TSHR (0.56) TSHRALDH1A1MAPTABCC4LMNA
SCHEMBL29284458 0.92 TSHR (0.56) TSHRALDH1A1MAPTABCC4LMNA
SCHEMBL29284307 0.92 TSHR (0.56) TSHRALDH1A1MAPTABCC4LMNA
SCHEMBL29284196 0.92 TSHR (0.56) TSHRALDH1A1MAPTABCC4LMNA
SCHEMBL999077 0.90 TSHR (0.64) TSHRALDH1A1MAPTABCC4LMNA
SCHEMBL29284342 0.90 TSHR (0.56) TSHRALDH1A1MAPTABCC4LMNA
SCHEMBL25404141 0.88 SQLE (0.52) MAPTLMNASQLELSSFAAH
SCHEMBL5699227 0.88 SQLE (0.52) MAPTLMNASQLELSSFAAH

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 56 patents — showing the first 20. 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
EP-2151233-B1 TWO-COMPONENT OXIDATIVE HAIR DYE COMPOSITION KAO CORP (JP) 2017-08-09 EP disclosed
EP-2151232-B1 OXIDATIVE HAIR DYE COMPOSITION KAO CORP (JP) 2017-04-12 EP 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
EP-1468665-A2 Hair cosmetic composition Kao Corporation (JP) 2004-10-20 EP disclosed
US-20040166084-A1 Hair cosmetic composition KAO CORPORATION (JP) 2004-08-26 US disclosed
US-20040156815-A1 Hair cleansing composition KAO CORPORATION (JP) 2004-08-12 US disclosed
US-20040157984-A1 Hair cleansing composition KAO CORPORATION (JP) 2004-08-12 US disclosed
EP-1433464-A2 Hair cleansing composition Kao Corporation (JP) 2004-06-30 EP disclosed
EP-1433465-A2 Hair cosmetic composition Kao Corporation (JP) 2004-06-30 EP disclosed
EP-1433466-A2 Hair cleansing composition Kao Corporation (JP) 2004-06-30 EP 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 1644/4885ALDH1A1 1257/4885MAPT 157/4885
US-20170071933-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 TSHR 1644/4885ALDH1A1 1257/4885MAPT 157/4885
US-20180318294-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 TSHR 1644/4885ALDH1A1 1257/4885MAPT 157/4885
US-20210052575-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, SULT2A1, CYP4Z1 TSHR 1868/4885ALDH1A1 1445/4885MAPT 422/4885
US-20200061056-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 TSHR 1644/4885ALDH1A1 1257/4885MAPT 157/4885
US-20040166084-A1 Hair cosmetic composition H1-0, H1-2, SHH TSHR 1526/4885ALDH1A1 1808/4885MAPT 3473/4885
US-20180092907-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 TSHR 1644/4885ALDH1A1 1257/4885MAPT 157/4885
US-20190167672-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 TSHR 1644/4885ALDH1A1 1257/4885MAPT 157/4885
US-20040156815-A1 Hair cleansing composition CUTA, TRPA1, SHH TSHR 2228/4885ALDH1A1 2683/4885MAPT 3096/4885

“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.