SCHEMBL5534963

SCHEMBL5534963

C=C(C)[C@@H]1CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.70
ALB P02768 2/20 0.70
GPBAR1 Q8TDU6 2/20 0.70
USP2 O75604 1/20 0.70
LMNA P02545 1/20 0.70
HIF1A Q16665 1/20 0.70
AKR1B10 O60218 1/20 0.70
POLB P06746 1/20 0.70
GLI1 P08151 1/20 0.70
AKR1B1 P15121 1/20 0.70
NT5E P21589 1/20 0.70
DPP4 P27487 1/20 0.70
RORC P51449 1/20 0.70
SAE1 Q9UBE0 1/20 0.70
UBA2 Q9UBT2 1/20 0.70
EGLN2 Q96KS0 1/20 0.65
EGLN1 Q9GZT9 1/20 0.65
EGLN3 Q9H6Z9 1/20 0.65
P4HTM Q9NXG6 1/20 0.65
TRPV1 Q8NER1 1/20 0.62

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
SCHEMBL12558298 1.00 PTPN1 (0.70) PTPN1ALBGPBAR1USP2LMNA
SCHEMBL16995362 1.00 PTPN1 (0.70) PTPN1ALBGPBAR1USP2LMNA
SCHEMBL19415219 1.00 PTPN1 (0.70) PTPN1ALBGPBAR1USP2LMNA
SCHEMBL12593102 1.00 PTPN1 (0.70) PTPN1ALBGPBAR1USP2LMNA
SCHEMBL15918172 0.94 GPBAR1 (0.70) PTPN1ALBGPBAR1USP2LMNA
SCHEMBL15917888 0.93 GPBAR1 (0.62) PTPN1ALBGPBAR1USP2LMNA
SCHEMBL16705023 0.92 F3 (0.72) PTPN1ALBGPBAR1USP2LMNA
SCHEMBL12134013 0.92 F3 (0.72) PTPN1ALBGPBAR1USP2LMNA
SCHEMBL16704695 0.92 F3 (0.72) PTPN1ALBGPBAR1USP2LMNA
SCHEMBL16704682 0.92 F3 (0.72) PTPN1ALBGPBAR1USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4234042-B1 MELANOGENESIS INHIBITOR COMPRISING D-PANTOTHENYL ALCOHOL, AND SKIN-WHITENING COSMETIC CONTAINING SAME MELANOGENESIS INHIBITOR POLA CHEM IND INC (JP) 2025-08-13 EP disclosed
CN-113423470-B Cosmetic compounding agent, cosmetic, and method for producing same 三吉油脂株式会社 2024-07-09 CN disclosed
CN-115192470-B Oily composition 宝丽化成工业有限公司 2024-06-18 CN disclosed
CN-117731675-A Medical application of pentacyclic triterpene derivative, pentacyclic triterpene derivative and pharmaceutical composition containing pentacyclic triterpene derivative 上海科技大学 2024-03-22 CN disclosed
EP-4234042-A1 MELANOGENESIS INHIBITOR COMPRISING D-PANTOTHENYL ALCOHOL, AND SKIN-WHITENING COSMETIC CONTAINING SAME MELANOGENESIS INHIBITOR Pola Chemical Industries, Inc. (JP) 2023-08-30 EP disclosed
CN-115192470-A Oily composition 宝丽化成工业有限公司 2022-10-18 CN disclosed
CN-112694514-B Pentacyclic triterpenoid TGR5 receptor agonist, and preparation method and application thereof 中国科学院上海药物研究所 2022-09-23 CN disclosed
EP-3925671-A1 COSMETIC INGREDIENT, COSMETIC, AND PRODUCTION METHOD FOR COSMETIC Miyoshi Oil & Fat Co., Ltd. (JP) 2021-12-22 EP disclosed
US-20200368131-A1 OIL-BASED COMPOSITION POLA CHEM IND INC (JP) 2020-11-26 US disclosed
EP-3711746-A1 OIL-BASED COMPOSITION Pola Chemical Industries Inc. (JP) 2020-09-23 EP disclosed
WO-2011153319-A1 C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-08 WO disclosed
US-20070072835-A1 Method of preparing and use of prodrugs of betulinic acid derivatives THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-03-29 US disclosed
US-20070072835-A1 Method of preparing and use of prodrugs of betulinic acid derivatives THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-03-29 US disclosed
US-20070072835-A1 Method of preparing and use of prodrugs of betulinic acid derivatives THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-03-29 US disclosed
US-7091195-B2 Method of preparing and use of prodrugs of betulinic acid derivatives THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2006-08-15 US disclosed
US-20030186945-A1 Method of preparing and use of prodrugs of betulinic acid derivatives THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2003-10-02 US disclosed
US-6569842-B2 Method of preparing and use of prodrugs of betulinic acid derivatives BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, THE 2003-05-27 US disclosed
EP-1309605-A1 PRODRUGS OF BETULINIC ACID DERIVATIVES FOR THE TREATMENT OF CANCER AND HIV THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2003-05-14 EP disclosed
US-20020052352-A1 Method of preparing and use of prodrugs of betulinic acid derivatives NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-05-02 US disclosed
WO-2002016395-A1 PRODRUGS OF BETULINIC ACID DERIVATIVES FOR THE TREATMENT OF CANCER AND HIV THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2002-02-28 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 (4 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-20070072835-A1 Method of preparing and use of prodrugs of betulinic acid derivatives BET1, PGGT1B, RABGGTB PTPN1 4209/4885ALB 3453/4885GPBAR1 99/4885
US-20200368131-A1 OIL-BASED COMPOSITION CUTA, EBP, LIPA PTPN1 3370/4885ALB 678/4885GPBAR1 2828/4885
US-20030186945-A1 Method of preparing and use of prodrugs of betulinic acid derivatives BET1, PGGT1B, RABGGTB PTPN1 4209/4885ALB 3453/4885GPBAR1 99/4885
US-20020052352-A1 Method of preparing and use of prodrugs of betulinic acid derivatives BET1, PGGT1B, RABGGTB PTPN1 4209/4885ALB 3453/4885GPBAR1 99/4885

“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.