SCHEMBL933876

SCHEMBL933876

O=C1C(=Cc2ccc(F)cc2)CNCC1=Cc1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 1.00
HSD11B1 P28845 2/20 0.71
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
FGFR1 P11362 1/20 0.64
ACHE P22303 3/20 0.57
RAF1 P04049 1/20 0.53
RPS6KB1 P23443 1/20 0.53
MAPK1 P28482 1/20 0.53
AKT1 P31749 1/20 0.53
AKT2 P31751 1/20 0.53
KDR P35968 1/20 0.53
PRKAG1 P54619 1/20 0.53
MAP2K1 Q02750 1/20 0.53
PRKAA1 Q13131 1/20 0.53
MAPK14 Q16539 1/20 0.53
DYRK2 Q92630 1/20 0.53
NEK1 Q96PY6 1/20 0.53
PRKAB1 Q9Y478 1/20 0.53
PAX8 Q06710 1/20 0.51

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
SCHEMBL13720053 1.00 IKBKB (1.00) IKBKBHSD11B1MEN1KMT2AFGFR1
SCHEMBL932826 1.00 IKBKB (1.00) IKBKBHSD11B1MEN1KMT2AFGFR1
SCHEMBL4463213 0.80 KMT2A (1.00) IKBKBHSD11B1MEN1KMT2AFGFR1
SCHEMBL21166873 0.80 IKBKB (0.67) IKBKBHSD11B1MEN1KMT2AFGFR1
SCHEMBL29497271 0.80 HSD11B1 (1.00) IKBKBHSD11B1MEN1KMT2AMAPK1
SCHEMBL4463210 0.80 KMT2A (1.00) IKBKBHSD11B1MEN1KMT2AFGFR1
SCHEMBL13719949 0.80 IKBKB (0.67) IKBKBMEN1KMT2AFGFR1ACHE
SCHEMBL21166874 0.80 IKBKB (0.67) IKBKBHSD11B1MEN1KMT2AFGFR1
SCHEMBL13719950 0.80 IKBKB (0.67) IKBKBMEN1KMT2AFGFR1ACHE
SCHEMBL14820391 0.80 KMT2A (1.00) IKBKBHSD11B1MEN1KMT2AFGFR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590147-B1 Spirooxindole-pyrrolothiazole heterocyclic hybrids KING SAUD UNIVERSITY (SA) 2020-03-17 US claimed
CN-118027110-A 3, 5-Bis (4-substituent benzylidene) piperidin-4-one-platinum complex and preparation method and application thereof 桂林医学院 2024-05-14 CN disclosed
CN-115260212-B 3, 5-bis (benzylidene) -4-piperidone derivative as well as preparation method and application thereof 桂林医学院 2023-05-23 CN disclosed
CN-115260212-A 3, 5-bis (benzylidene) -4-piperidone derivative and preparation method and application thereof 桂林医学院 2022-11-01 CN disclosed
US-10590147-B1 Spirooxindole-pyrrolothiazole heterocyclic hybrids KING SAUD UNIVERSITY (SA) 2020-03-17 US disclosed
US-9359196-B2 Antiproliferative compositions comprising curcumin analogs and methods of producing and using same THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2016-06-07 US disclosed
US-20120316203-A1 Compositions and Methods for Inhibition of Cancers THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-12-13 US disclosed
US-20120288555-A1 ANTIPROLIFERATIVE COMPOSITIONS COMPRISING CURCUMIN ANALOGS AND METHODS OF PRODUCING AND USING SAME THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2012-11-15 US disclosed
EP-2451273-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF CANCERS The Ohio State University Research Foundation (US) 2012-05-16 EP disclosed
WO-2011005790-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF CANCERS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-01-13 WO 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 (3 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-20120316203-A1 Compositions and Methods for Inhibition of Cancers HCCS, GPX4, HMOX1 IKBKB 2646/4885HSD11B1 2079/4885MEN1 3347/4885
US-10590147-B1 Spirooxindole-pyrrolothiazole heterocyclic hybrids BRD9, BRWD1, BRD7 IKBKB 2776/4885HSD11B1 2499/4885MEN1 2262/4885
US-20120288555-A1 ANTIPROLIFERATIVE COMPOSITIONS COMPRISING CURCUMIN ANALOGS AND METHODS OF PRODUCING AND USING SAME MCL1, LITAF, CTSA IKBKB 3061/4885HSD11B1 4453/4885MEN1 1097/4885

“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.