Benzene

Benzene

SCHEMBL6920779

COC(C)(C)C.c1ccccc1

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.73
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 1/20 0.33
CA4 P22748 1/20 0.32
ALOX15 P16050 1/20 0.30

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
SCHEMBL503396 0.85
SCHEMBL8679785 0.85 ALDH1A1 (1.00) ALDH1A1TSHRTDP1
SCHEMBL6223 0.85
Pyridine SCHEMBL19743133 0.80 TSHR (0.53) ALDH1A1TSHRTDP1
Water SCHEMBL10335432 0.80
SCHEMBL3662439 0.80
Methane SCHEMBL5413858 0.80
SCHEMBL3366971 0.80
Hydrochloric Acid SCHEMBL3840624 0.80
SCHEMBL3664027 0.80

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
EP-0891188-A4 STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN BLOOD LEVELS OF LH OR FSH PHERIN PHARM INC (US) 2004-09-01 EP disclosed
EP-0914165-A4 STEROIDS AS NEUROCHEMICAL STIMULATORS OF THE VNO TO ALLEVIATE SYMPTOMS OF PMS AND ANXIETY PHERIN PHARM INC (US) 2004-01-21 EP disclosed
US-20020103391-A1 Novel androstanes for inducing hypothalamic effects BERLINER DAVID L (US) 2002-08-01 US disclosed
US-6331534-B1 ADMINISTERING EFFECTIVE AMOUNT OF STEROID WITHIN NASAL PASSAGE OF INDIVIDUAL SUCH THAT IT BINDS SPECIFICALLY TO RECEPTORS ON SURFACE OF NASAL NEUROEPITHELIAL CELLS IN VOMERONASAL ORGAN PHERIN PHARMACEUTICALS, INC. 2001-12-18 US disclosed
US-6117860-A NASALLY ADMINISTERING STEROID WHICH BINDS TO A SPECIFIC NEUROEPITHELIAL RECEPTOR FOR ALLEVIATING PREMENSTRUAL TENSION AND ANXIETY PHERIN PHARMACEUTICALS, INC. (US) 2000-09-12 US disclosed
US-6066627-A ALTERING BLOOD CONCNETRATION OF LUTEINIZING HORMONE PHERIN CORPORATION (US) 2000-05-23 US disclosed
US-6057439-A EPOXYSTEROIDS PHERIN CORPORATION (US) 2000-05-02 US disclosed
US-5969168-A STIMULATE AUTONOMIC ACTIVITY PHERIN CORPORATION (US) 1999-10-19 US disclosed
CN-1226837-A Steroids as neurochemical stimulators of VNO to alleviate symptoms of PMS and anxiety PHERIN CORP (US) 1999-08-25 CN disclosed
EP-0914165-A1 STEROIDS AS NEUROCHEMICAL STIMULATORS OF THE VNO TO ALLEVIATE SYMPTOMS OF PMS AND ANXIETY Pherin Pharmaceuticals, Inc. (US) 1999-05-12 EP disclosed
WO-1998048811-A1 METHOD OF FIXING FRAGRANCES IN FRAGRANCE COMPOSITION AND OTHER COMPOSITIONS HUMAN PHEROMONE SCIENCES, INC. (US) 1998-11-05 WO disclosed
EP-0783512-A4 NOVEL ANDROSTANES FOR INDUCING HYPOTHALAMIC EFFECTS PHERIN CORP (US) 1998-09-02 EP disclosed
WO-1998014194-A9 STEROIDS AS NEUROCHEMICAL STIMULATORS OF THE VNO TO ALLEVIATE SYMPTOMS OF ANXIETY 1998-08-27 WO disclosed
WO-1998003207-A9 STEROIDS AS NEUROCHEMICAL STIMULATORS OF THE VNO TO ALLEVIATE SYMPTOMS OF PMS AND ANXIETY 1998-05-22 WO disclosed
WO-1998014194-A1 STEROIDS AS NEUROCHEMICAL STIMULATORS OF THE VNO TO ALLEVIATE SYMPTOMS OF ANXIETY PHERIN PHARMACEUTICALS (US) 1998-04-09 WO disclosed
WO-1998003207-A1 STEROIDS AS NEUROCHEMICAL STIMULATORS OF THE VNO TO ALLEVIATE SYMPTOMS OF PMS AND ANXIETY PHERIN PHARMACEUTICALS, INC. (US) 1998-01-29 WO disclosed
WO-1997036596-A9 STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN BLOOD LEVELS OF LH OR FSH 1997-12-04 WO disclosed
WO-1997036596-A1 STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN BLOOD LEVELS OF LH OR FSH PHERIN PHARMACEUTICALS, INC. (US) 1997-10-09 WO disclosed
EP-0783512-A1 NOVEL ANDROSTANES FOR INDUCING HYPOTHALAMIC EFFECTS PHERIN CORPORATION (US) 1997-07-16 EP disclosed
WO-1996010031-A1 NOVEL ANDROSTANES FOR INDUCING HYPOTHALAMIC EFFECTS PHERIN CORPORATION (US) 1996-04-04 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 (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-20020103391-A1 Novel androstanes for inducing hypothalamic effects FABP7, NR3C2, NR3C1 ALDH1A1 2386/4885TSHR 141/4885TDP1 4710/4885

“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.