SCHEMBL1082631

SCHEMBL1082631

COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 1.00
LMNA P02545 2/20 1.00
CYP1A2 P05177 2/20 1.00
CYP2D6 P10635 2/20 1.00
CYP2C9 P11712 2/20 1.00
NPSR1 Q6W5P4 2/20 1.00
TSHR P16473 1/20 1.00
NFKB1 P19838 1/20 1.00
AKR1C3 P42330 9/20 0.89
AKR1C2 P52895 8/20 0.89
PLA2G2A P14555 1/20 0.83
PTGS2 P35354 3/20 0.81
AKR1C4 P17516 2/20 0.81
AKR1C1 Q04828 2/20 0.81
ABCB1 P08183 2/20 0.81
PTGS1 P23219 2/20 0.81
GLO1 Q04760 2/20 0.81
KDM4E B2RXH2 1/20 0.81
MEN1 O00255 1/20 0.81
PTGES O14684 1/20 0.81

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
Hydrochloric Acid SCHEMBL8646699 0.99 HIF1A (0.98) HIF1ALMNACYP1A2CYP2D6CYP2C9
SCHEMBL8645594 0.94 AKR1C3 (1.00) HIF1ALMNACYP1A2CYP2D6CYP2C9
SCHEMBL5646377 0.93 HIF1A (0.87) HIF1ALMNACYP1A2CYP2D6CYP2C9
SCHEMBL2600801 0.92 AKR1C3 (1.00) HIF1ALMNACYP1A2CYP2D6CYP2C9
Indomethacin SCHEMBL28072579 0.91 PTGS2 (0.98) HIF1ALMNACYP1A2CYP2D6CYP2C9
Indomethacin SCHEMBL28285479 0.91 PTGS2 (0.88) HIF1ALMNACYP1A2CYP2D6CYP2C9
SCHEMBL23391007 0.91 LMNA (0.83) HIF1ALMNACYP1A2CYP2D6CYP2C9
SCHEMBL12747878 0.91 AKR1C3 (0.89) HIF1ALMNACYP1A2CYP2D6CYP2C9
Indomethacin SCHEMBL27521872 0.90 PTGS2 (0.92) HIF1ALMNACYP1A2CYP2D6CYP2C9
SCHEMBL5796934 0.90 AKR1C3 (1.00) HIF1ALMNACYP1A2CYP2D6CYP2C9

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628532-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION Microbia, Inc. (US) 2006-03-01 EP claimed
US-20050004104-A1 Methods for the protection of memory and cognition IRONWOOD PHARMACEUTICALS, INC. 2005-01-06 US claimed
WO-2004108085-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION MICROBIA, INC. (US) 2004-12-16 WO claimed
US-4711879-A IMMUNO-MODULATING ACTIVITY CIBA-GEIGY CORPORATION (US) 1987-12-08 US claimed
US-4640911-A IMMUNOSTIMULANTS, VIRICIDES SUCH AS HERPES SIMPLEX CIBA-GEIGY CORPORATION (US) 1987-02-03 US claimed
CN-111808011-B High penetration composition and its application 泰飞尔生物医药(苏州)有限公司 2024-02-27 CN disclosed
US-20230233516-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS TECHFIELDS PHARMA CO., LTD (CN) 2023-07-27 US disclosed
US-11541029-B2 High penetration compositions and their applications TECHFIELDS PHARMA CO., LTD. (CN) 2023-01-03 US disclosed
CN-113636965-A High penetration composition and application thereof 于崇曦 2021-11-12 CN disclosed
CN-107320732-B High penetration composition and application thereof 于崇曦 2021-09-07 CN disclosed
CN-108191846-B High penetration composition and application thereof 于崇曦 2021-08-20 CN disclosed
US-10849841-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-12-01 US disclosed
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 US disclosed
WO-2005037227-A2 SELECTIVE COX-2 INHIBITORS MICROBIA, INC. (US) 2005-04-28 WO disclosed
EP-0746544-B1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMA INC (US) 1998-09-09 EP disclosed
US-5721347-A Esters and amides of substituted pyrrole acetic acids CELL PATHWAYS, INC. (US) 1998-02-24 US disclosed
EP-0746544-A1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMACEUTICALS INC. (US) 1996-12-11 EP disclosed
WO-1995022524-A1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMACEUTICALS INC. (US) 1995-08-24 WO disclosed
EP-0485157-A2 Esters and amides of substituted pyrrole acetic acids FGN, INC. (US) 1992-05-13 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 (5 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-20050004104-A1 Methods for the protection of memory and cognition PTGES2, PTGS2, PTGS1 HIF1A 973/4885LMNA 3639/4885CYP1A2 1632/4885
US-10849841-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH AR, BPHL, PTGS2 HIF1A 1855/4885LMNA 3544/4885CYP1A2 471/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 HIF1A 2140/4885LMNA 3613/4885CYP1A2 56/4885
US-11541029-B2 High penetration compositions and their applications SLC19A1, HIRA, SLC43A1 HIF1A 1646/4885LMNA 1775/4885CYP1A2 367/4885
US-20230233516-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS SLC5A7, SLC19A1, SLC43A1 HIF1A 891/4885LMNA 2635/4885CYP1A2 483/4885

“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.