Sugi Predict

Sugi Predict / Compounds / SCHEMBL6851992

SCHEMBL6851992

SCHEMBL6851992

CC1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)CO)[C@@]2(C)CCC(=O)C=C12

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.84
▸ HIF1A Q16665 11/20 0.81
▸ CYP3A4 P08684 8/20 0.81
▸ HSD17B10 Q99714 7/20 0.81
▸ ALDH1A1 P00352 2/20 0.81
▸ CYP2C9 P11712 2/20 0.81
▸ TSHR P16473 2/20 0.81
▸ NR3C1 P04150 6/20 0.72
▸ PGR P06401 5/20 0.72
▸ CYP2C19 P33261 4/20 0.72
▸ SERPINA6 P08185 4/20 0.72
▸ SMN1; SMN2 Q16637 3/20 0.72
▸ MAPT P10636 2/20 0.72
▸ SHBG P04278 2/20 0.72
▸ NR3C2 P08235 2/20 0.72
▸ NFKB1 P19838 1/20 0.72
▸ ABCB11 O95342 2/20 0.68
▸ ABCC4 O15439 1/20 0.68
▸ NR1I2 O75469 1/20 0.68
▸ PDE4D Q08499 1/20 0.68

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
SCHEMBL137529 1.00 KMT2A (0.84) KMT2AHIF1ACYP3A4HSD17B10ALDH1A1
SCHEMBL13152832 1.00 KMT2A (0.84) KMT2AHIF1ACYP3A4HSD17B10ALDH1A1
SCHEMBL9458663 1.00 KMT2A (0.84) KMT2AHIF1ACYP3A4HSD17B10ALDH1A1
SCHEMBL10393880 1.00 KMT2A (0.84) KMT2AHIF1ACYP3A4HSD17B10ALDH1A1
SCHEMBL13150977 1.00 KMT2A (0.84) KMT2AHIF1ACYP3A4HSD17B10ALDH1A1
SCHEMBL17714999 1.00 KMT2A (0.84) KMT2AHIF1ACYP3A4HSD17B10ALDH1A1
SCHEMBL137530 1.00 KMT2A (0.84) KMT2AHIF1ACYP3A4HSD17B10ALDH1A1
SCHEMBL17726095 1.00 KMT2A (0.84) KMT2AHIF1ACYP3A4HSD17B10ALDH1A1
SCHEMBL11702370 0.93 HIF1A (0.81) KMT2AHIF1ACYP3A4HSD17B10ALDH1A1
SCHEMBL142385 0.91 KMT2A (1.00) KMT2AHIF1ACYP3A4HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4722837-A Medicated shampoo composition DERMA-CURE, INC. (US) 1988-02-02 — — US claimed
US-20220136029-A1 BIOTECHNOLOGICAL OPTIMIZATION OF MICROORGANISMS FOR THE 1,2-DEHYDROGENATION OF STEROIDS SANOFI (FR) 2022-05-05 — — US disclosed
EP-3921414-A1 BIOTECHNOLOGICAL OPTIMIZATION OF MICROORGANISMS FOR THE 1,2-DEHYDROGENATION OF STEROIDS SANOFI (FR) 2021-12-15 — — EP disclosed
CN-113423827-A Biotechnological optimization of microorganisms for 1, 2-dehydrogenation of steroids 赛诺菲 2021-09-21 — — CN disclosed
WO-2020161317-A1 BIOTECHNOLOGICAL OPTIMIZATION OF MICROORGANISMS FOR THE 1,2-DEHYDROGENATION OF STEROIDS SANOFI (FR) 2020-08-13 — — WO disclosed
EP-3548014-A1 KETAMINE FOR THE TREATMENT OF MENSTRUALLY RELATED SYMPTOMS Wolfson, Philip, E. (US) 2019-10-09 — — EP disclosed
WO-2018102488-A1 KETAMINE FOR THE TREATMENT OF MENSTRUALLY RELATED SYMPTOMS WOLFSON PHILIP E (US) 2018-06-07 — — WO disclosed
US-6835724-B2 Topical antiinflammatory agents for treating inflammatory dermatoses AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-12-28 — — US disclosed
US-20020103392-A1 CORTICOID-17,21-DICARBOXYLIC ESTERS AND CORTICOSTEROID 17-CARBOXYLIC ESTER 21-CARBONIC ESTERS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-01 — — US disclosed
US-6274118-B1 INJECTING PATIENT HAVING ENDOCRINE CANCER IN NON-PROSTATIC TISSUE WITH BIOLOGICAL BINDING UNITS WHICH BIND TO PROSTATE SPECIFIC ANTIGEN PRODUCED BY NON-PROSTATIC TISSUE NORDION INTERNATIONAL INC. (CA) 2001-08-14 — — US disclosed
WO-1995002424-A1 LOCALIZATION AND THERAPY OF NON-PROSTATIC ENDOCRINE CANCER WITH AGENTS DIRECTED AGAINST PROSTATE SPECIFIC ANTIGEN NORDION INTERNATIONAL INC. (CA) 1995-01-26 — — WO disclosed
US-4956482-A Process for the preparation of pregnane derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1990-09-11 — — US disclosed
US-4918065-A ANTIINFLAMMATORY AGENT SCHERING AKTIENGESELLSCHAFT (DE) 1990-04-17 — — US disclosed
US-4912098-A Antiinflammatory 6 alpha-methylhydrocortisones SCHERING AKTIENGESELLSCHAFT (DE) 1990-03-27 — — US disclosed
US-4912098-A Antiinflammatory 6 alpha-methylhydrocortisones SCHERING AKTIENGESELLSCHAFT (DE) 1990-03-27 — — US disclosed
US-4722837-A Medicated shampoo composition DERMA-CURE, INC. (US) 1988-02-02 — — US disclosed
US-4708823-A 17 α-chloroethynyl pregnane derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1987-11-24 — — US disclosed
EP-0054786-B1 6-ALPHA-METHYL HYDROCORTISONE DERIVATIVES, THEIR PREPARATION AND THEIR UTILIZATION SCHERING AKTIENGESELLSCHAFT (DE) 1985-03-20 — — EP disclosed
EP-0054786-A1 6-Alpha-methyl hydrocortisone derivatives, their preparation and their utilization SCHERING AKTIENGESELLSCHAFT (DE) 1982-06-30 — — EP disclosed
US-4246346-A ACTIVATING THE IMMOBILIZED MICROORGANISMS BY ADDING PEPTONE OR GLUCOSE TO THE REACTION MIXTURE AKTIEBOLAGET FERMENTA (SE) 1981-01-20 — — US 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 (1 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-20020103392-A1 CORTICOID-17,21-DICARBOXYLIC ESTERS AND CORTICOSTEROID 17-CARBOXYLIC ESTER 21-CARBONIC ESTERS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS NR3C1, HSD3B1, HSD17B7 KMT2A 2472/4885HIF1A 2813/4885CYP3A4 246/4885

“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.